Geometry & MOs

Info

ID:	60929
PubChem CID:	26703298
Reduced:	N3O9H17C24 (1)
Stoich.:	A3B9C17D24 (1)
Weight, g/mol:	376.105922
ΔH_f, kcal/mol:	-118.48
Dipole, Da:	10.79
IP(EA), eV:	-8.91(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-naphthalen-1-yl-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide

Drug info:

PubChemData

Smile

C1C2=C(C(=CC(=C2)[N+](=O)[O-])/C=C/C(=O)OC3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-])OCO1

DOS

IR

Vibrations